#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jm3 s SER 2 N 0.00 7.00 0.74 1.61 0.01 -1.26 -4.98 113.70 116.82 2jm3 s SER 2 Ca 0.00 1.24 -0.11 0.00 1.31 0.00 0.00 55.95 58.40 2jm3 s SER 2 Cb 0.00 -2.49 0.03 0.00 0.21 0.00 0.00 66.02 63.78 2jm3 s SER 2 CO 0.00 -0.51 1.07 -0.04 0.41 0.00 0.00 173.24 174.17 2jm3 s MET 3 N 2.62 2.59 0.00 12.44 1.00 -1.26 -4.89 119.30 131.80 2jm3 s MET 3 Ca 0.40 0.91 -0.01 0.00 0.00 0.00 0.00 55.69 56.99 2jm3 s MET 3 Cb -0.16 -1.95 -0.06 0.00 0.00 0.00 0.00 34.83 32.66 2jm3 s MET 3 CO 0.10 -1.33 1.56 -0.35 0.00 0.00 0.00 175.02 174.99 2jm3 n PRO 4 N -3.28 0.77 -3.67 2.03 -0.04 -1.26 -4.59 135.00 124.96 2jm3 n PRO 4 Ca 0.08 -0.22 -0.09 0.00 -0.04 0.00 0.00 63.50 63.23 2jm3 n PRO 4 Cb 0.54 -1.44 -0.10 0.00 -0.04 0.00 0.00 33.50 32.46 2jm3 n PRO 4 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2jm3 s THR 5 N 1.29 -0.27 -0.12 0.52 2.01 -1.26 -5.14 115.64 112.67 2jm3 s THR 5 Ca 0.15 0.10 -0.09 0.00 0.31 0.00 0.00 61.69 62.16 2jm3 s THR 5 Cb 0.07 -0.70 0.04 0.00 0.01 0.00 0.00 72.50 71.92 2jm3 s THR 5 CO 0.00 0.04 0.30 -0.89 -0.69 0.00 0.00 174.62 173.38 2jm3 s THR 6 N 1.89 -0.01 0.30 -0.82 2.01 -1.26 -4.98 115.64 112.76 2jm3 s THR 6 Ca -0.07 0.05 -0.30 0.00 0.31 0.00 0.00 61.69 61.68 2jm3 s THR 6 Cb -0.09 -0.43 -0.12 0.00 0.01 0.00 0.00 72.50 71.87 2jm3 s THR 6 CO -0.14 0.02 1.57 0.00 -0.69 0.00 0.00 174.62 175.38 2jm3 n GLY 8 N 1.95 -0.00 3.76 0.00 0.00 0.15 -4.83 105.19 106.22 2jm3 n GLY 8 Ca 0.08 -0.37 -0.41 0.00 0.00 0.00 0.00 46.02 45.32 2jm3 n GLY 8 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2jm3 s PHE 9 N -1.87 3.17 0.36 1.61 0.40 -1.26 -4.88 117.98 115.51 2jm3 s PHE 9 Ca 0.33 1.45 0.06 0.00 -0.60 0.00 0.00 56.93 58.17 2jm3 s PHE 9 Cb 0.18 -3.60 0.74 0.00 0.51 0.00 0.00 43.02 40.85 2jm3 s PHE 9 CO 0.27 -1.61 1.97 -1.00 0.70 0.00 0.00 175.22 175.55 2jm3 h PRO 10 N 3.66 0.73 -1.58 0.24 0.13 -1.87 -3.35 132.00 129.95 2jm3 h PRO 10 Ca -0.48 -0.04 -0.29 0.00 -0.87 0.00 0.00 66.00 64.31 2jm3 h PRO 10 Cb 1.22 -0.17 -0.26 0.00 0.13 0.00 0.00 31.00 31.93 2jm3 h PRO 10 CO 0.67 0.48 -0.64 1.21 -0.23 0.00 0.00 178.00 179.49 2jm3 s ASN 11 N -6.25 -0.03 -0.07 1.44 3.84 -1.26 -5.12 114.94 107.49 2jm3 s ASN 11 Ca -0.10 -1.77 -0.30 0.00 0.21 0.00 0.00 52.86 50.91 2jm3 s ASN 11 Cb 0.19 1.01 -0.05 0.00 -0.55 0.00 0.00 41.25 41.85 2jm3 s ASN 11 CO 0.77 -0.17 1.55 0.00 -2.79 0.00 0.00 177.10 176.47 2jm3 n LYS 13 N 6.90 1.60 -0.03 0.00 2.85 -1.26 -3.27 118.16 124.94 2jm3 n LYS 13 Ca 0.16 -0.92 -0.05 0.00 -1.05 0.00 0.00 58.31 56.45 2jm3 n LYS 13 Cb 0.43 -1.25 -0.02 0.00 -0.65 0.00 0.00 35.03 33.54 2jm3 n LYS 13 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 2jm3 n PHE 14 N 0.21 0.00 -0.09 5.58 3.72 -1.26 -4.18 117.46 121.44 2jm3 n PHE 14 Ca 0.11 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.44 2jm3 n PHE 14 Cb 0.24 -0.28 0.01 0.00 -0.94 0.00 0.00 39.48 38.50 2jm3 n PHE 14 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 176.76 176.62 2jm3 h ARG 15 N -0.56 0.12 0.00 -1.08 2.43 -1.90 -0.35 114.38 113.04 2jm3 h ARG 15 Ca -0.01 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.14 2jm3 h ARG 15 Cb 0.57 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.10 2jm3 h ARG 15 CO -0.01 0.08 -0.09 0.77 -1.51 0.00 0.00 179.97 179.21 2jm3 h SER 16 N 0.12 0.00 1.24 -3.80 0.02 -1.84 -3.03 113.55 106.26 2jm3 h SER 16 Ca 0.15 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 61.01 2jm3 h SER 16 Cb 0.19 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.72 2jm3 h SER 16 CO -0.24 0.09 -0.79 0.08 -1.14 0.00 0.00 176.83 174.83 2jm3 h ARG 17 N 0.00 0.00 0.00 3.45 0.11 -1.49 -3.26 114.38 113.19 2jm3 h ARG 17 Ca -0.00 0.00 -0.13 0.00 0.10 0.00 0.00 59.98 59.95 2jm3 h ARG 17 Cb 0.84 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.90 2jm3 h ARG 17 CO 0.01 0.29 -0.61 1.88 0.10 0.00 0.00 179.97 181.64 2jm3 h TYR 18 N 0.00 0.00 -1.20 4.08 -1.99 -0.98 -3.47 116.97 113.41 2jm3 h TYR 18 Ca -0.05 0.00 -0.41 0.00 2.00 0.00 0.00 58.73 60.27 2jm3 h TYR 18 Cb 1.33 0.00 -0.14 0.00 2.00 0.00 0.00 36.73 39.92 2jm3 h TYR 18 CO 0.00 0.61 -0.39 0.54 -0.00 0.00 0.00 178.16 178.92 2jm3 n ARG 19 N -3.30 -1.43 0.00 4.88 3.00 -1.19 -4.90 116.66 113.73 2jm3 n ARG 19 Ca 0.01 1.18 0.00 0.00 -0.01 0.00 0.00 57.85 59.03 2jm3 n ARG 19 Cb 0.76 -5.57 0.00 0.00 0.00 0.00 0.00 32.46 27.65 2jm3 n ARG 19 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2jm3 n GLY 20 N -0.56 0.82 2.80 -0.13 0.00 -1.26 -5.05 105.19 101.80 2jm3 n GLY 20 Ca -0.21 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.52 2jm3 n GLY 20 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2jm3 s LEU 21 N 0.00 3.67 -1.36 0.99 2.34 -1.26 -4.80 118.68 118.25 2jm3 s LEU 21 Ca 0.00 -3.17 -0.08 0.00 0.06 0.00 0.00 54.13 50.94 2jm3 s LEU 21 Cb 0.00 -1.32 0.01 0.00 -0.56 0.00 0.00 46.19 44.31 2jm3 s LEU 21 CO 0.00 -0.19 1.06 1.21 -1.06 0.00 0.00 176.35 177.37 2jm3 n GLU 22 N 2.86 -7.29 0.00 1.48 4.07 -1.26 -2.76 120.64 117.74 2jm3 n GLU 22 Ca 0.13 0.83 0.00 0.00 -0.06 0.00 0.00 57.16 58.06 2jm3 n GLU 22 Cb 0.35 -5.79 0.00 0.00 -0.06 0.00 0.00 31.44 25.94 2jm3 n GLU 22 CO 0.00 0.00 0.00 -3.47 -0.06 0.00 0.00 177.13 173.60 2jm3 n ASP 23 N -2.82 0.00 0.00 4.31 -0.08 -1.26 -3.88 116.55 112.82 2jm3 n ASP 23 Ca -0.01 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.27 2jm3 n ASP 23 Cb 0.57 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.03 2jm3 n ASP 23 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 2jm3 n ASN 24 N 1.18 -1.64 -2.22 1.67 2.85 -1.11 -4.96 115.26 111.03 2jm3 n ASN 24 Ca 0.00 0.00 -0.02 0.00 -0.11 0.00 0.00 54.58 54.45 2jm3 n ASN 24 Cb 0.00 -0.42 0.01 0.00 1.24 0.00 0.00 39.78 40.60 2jm3 n ASN 24 CO 0.00 0.00 0.00 -1.14 -2.11 0.00 0.00 177.26 174.01 2jm3 n ARG 25 N -1.86 0.88 -3.15 1.20 0.63 -1.25 -5.08 116.66 108.03 2jm3 n ARG 25 Ca 0.00 -0.23 -0.39 0.00 -0.92 0.00 0.00 57.85 56.31 2jm3 n ARG 25 Cb 0.23 -0.03 -0.05 0.00 0.45 0.00 0.00 32.46 33.06 2jm3 n ARG 25 CO 0.00 0.00 0.00 -1.58 -2.51 0.00 0.00 177.63 173.54 2jm3 s HIS 26 N 0.57 3.56 -0.40 -0.14 2.46 -1.26 -4.98 115.29 115.09 2jm3 s HIS 26 Ca 0.05 1.12 -0.12 0.00 0.47 0.00 0.00 55.06 56.57 2jm3 s HIS 26 Cb -0.00 -2.70 0.04 0.00 -0.13 0.00 0.00 32.58 29.78 2jm3 s HIS 26 CO 0.03 0.13 0.26 -0.06 -2.47 0.00 0.00 174.74 172.63 2jm3 s PHE 27 N 0.68 3.26 0.59 3.88 0.08 -1.26 -1.67 117.98 123.54 2jm3 s PHE 27 Ca 0.33 -0.97 -0.13 0.00 0.12 0.00 0.00 56.93 56.27 2jm3 s PHE 27 Cb -0.17 -2.65 -0.05 0.00 -0.57 0.00 0.00 43.02 39.58 2jm3 s PHE 27 CO 0.15 -0.69 1.02 0.71 -0.10 0.00 0.00 175.22 176.31 2jm3 s TYR 28 N 1.57 3.43 0.14 0.36 2.02 0.13 -4.71 117.35 120.29 2jm3 s TYR 28 Ca 0.03 1.40 -0.04 0.00 -0.37 0.00 0.00 57.07 58.08 2jm3 s TYR 28 Cb -0.20 -2.80 -0.05 0.00 -0.40 0.00 0.00 41.96 38.50 2jm3 s TYR 28 CO 0.07 -0.69 0.37 1.03 -1.57 0.00 0.00 175.55 174.75 2jm3 s ARG 29 N -4.64 3.60 -0.04 -0.62 1.81 -1.26 -1.62 118.95 116.18 2jm3 s ARG 29 Ca 0.58 -0.13 -0.30 0.00 -1.72 0.00 0.00 55.73 54.16 2jm3 s ARG 29 Cb -0.12 -2.86 -0.05 0.00 -0.45 0.00 0.00 34.95 31.47 2jm3 s ARG 29 CO 0.44 0.47 1.55 0.42 -0.68 0.00 0.00 175.30 177.50 2jm3 s ILE 30 N -1.67 3.63 0.59 1.52 1.09 -1.26 -4.95 121.20 120.14 2jm3 s ILE 30 Ca 0.40 0.86 -0.20 0.00 -1.10 0.00 0.00 60.65 60.62 2jm3 s ILE 30 Cb -0.12 -3.56 -0.04 0.00 -1.06 0.00 0.00 42.46 37.69 2jm3 s ILE 30 CO 0.25 -0.05 1.29 -2.65 -0.10 0.00 0.00 174.94 173.68 2jm3 n PRO 31 N 6.52 1.39 -0.01 2.79 -0.02 -1.26 -4.93 135.00 139.48 2jm3 n PRO 31 Ca 0.16 0.52 0.01 0.00 -2.02 0.00 0.00 63.50 62.17 2jm3 n PRO 31 Cb 0.43 -2.51 0.01 0.00 -0.02 0.00 0.00 33.50 31.41 2jm3 n PRO 31 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 2jm3 n LYS 32 N -1.32 2.69 -3.65 -0.52 4.81 -1.26 -4.36 118.16 114.55 2jm3 n LYS 32 Ca 0.13 -1.57 -0.02 0.00 -0.87 0.00 0.00 58.31 55.98 2jm3 n LYS 32 Cb 0.46 -1.03 -0.05 0.00 0.02 0.00 0.00 35.03 34.44 2jm3 n LYS 32 CO 0.00 0.00 0.00 0.50 1.17 0.00 0.00 177.40 179.07 2jm3 s ARG 33 N -1.15 0.59 0.71 1.64 3.00 -1.26 -4.12 118.95 118.36 2jm3 s ARG 33 Ca 0.03 1.41 -0.11 0.00 -1.00 0.00 0.00 55.73 56.07 2jm3 s ARG 33 Cb 0.03 0.77 0.02 0.00 0.00 0.00 0.00 34.95 35.76 2jm3 s ARG 33 CO 0.00 -0.20 1.07 -1.25 0.00 0.00 0.00 175.30 174.93 2jm3 s PRO 34 N 2.73 2.79 0.22 5.12 0.04 -1.26 -4.94 135.00 139.70 2jm3 s PRO 34 Ca -0.06 1.02 -0.09 0.00 0.04 0.00 0.00 61.00 61.91 2jm3 s PRO 34 Cb -0.11 -1.97 0.21 0.00 0.04 0.00 0.00 34.50 32.67 2jm3 s PRO 34 CO -0.19 -1.21 1.88 1.25 0.04 0.00 0.00 177.00 178.77 2jm3 h LEU 35 N -0.76 0.90 -1.69 -3.56 7.12 -1.95 -1.59 115.31 113.79 2jm3 h LEU 35 Ca -0.44 -0.01 -0.03 0.00 0.13 0.00 0.00 57.88 57.52 2jm3 h LEU 35 Cb 1.22 -0.21 -0.00 0.00 -0.53 0.00 0.00 40.66 41.13 2jm3 h LEU 35 CO 0.55 0.64 -0.16 -0.29 -0.13 0.00 0.00 178.44 179.06 2jm3 h ILE 36 N 1.06 0.58 -0.16 4.05 6.09 -1.98 -0.60 117.51 126.56 2jm3 h ILE 36 Ca 0.31 -0.71 -0.08 0.00 -1.37 0.00 0.00 64.86 63.01 2jm3 h ILE 36 Cb -0.06 1.47 -0.00 0.00 0.47 0.00 0.00 36.82 38.69 2jm3 h ILE 36 CO -0.09 0.15 -0.21 0.25 -3.07 0.00 0.00 178.15 175.18 2jm3 h LEU 37 N 0.00 0.46 -0.84 2.19 5.85 -1.65 -1.94 115.31 119.39 2jm3 h LEU 37 Ca -0.00 -0.51 -0.03 0.00 0.84 0.00 0.00 57.88 58.18 2jm3 h LEU 37 Cb 0.45 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.31 2jm3 h LEU 37 CO 0.02 0.88 0.43 -0.09 -0.34 0.00 0.00 178.44 179.34 2jm3 h ARG 38 N 0.06 1.20 -0.44 1.25 2.43 -0.93 0.79 114.38 118.73 2jm3 h ARG 38 Ca 0.02 -0.16 -0.04 0.00 -0.81 0.00 0.00 59.98 58.99 2jm3 h ARG 38 Cb 0.77 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 30.08 2jm3 h ARG 38 CO 0.05 0.90 0.11 0.37 -1.51 0.00 0.00 179.97 179.90 2jm3 h GLN 39 N 1.19 0.66 0.00 0.20 4.15 -1.10 -2.13 115.11 118.08 2jm3 h GLN 39 Ca 0.29 -0.12 -0.16 0.00 0.77 0.00 0.00 58.65 59.44 2jm3 h GLN 39 Cb 0.08 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 27.64 2jm3 h GLN 39 CO -0.04 0.60 -0.74 0.00 -1.93 0.00 0.00 178.83 176.72 2jm3 h ARG 40 N 0.65 0.00 -0.22 1.69 2.47 -0.60 -3.20 114.38 115.16 2jm3 h ARG 40 Ca 0.15 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.84 2jm3 h ARG 40 Cb 0.24 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.54 2jm3 h ARG 40 CO -0.00 0.74 0.01 -1.49 0.56 0.00 0.00 179.97 179.78 2jm3 h TRP 41 N 0.00 0.32 0.00 3.04 4.06 -0.19 -1.52 115.95 121.67 2jm3 h TRP 41 Ca -0.01 -0.02 0.00 0.00 2.06 0.00 0.00 58.89 60.92 2jm3 h TRP 41 Cb 1.40 -0.10 0.00 0.00 -1.00 0.00 0.00 29.16 29.46 2jm3 h TRP 41 CO 0.00 0.33 0.00 -0.07 -3.56 0.00 0.00 178.44 175.14 2jm3 h LEU 42 N 0.32 0.00 -0.59 -4.49 3.38 -1.51 -2.98 115.31 109.44 2jm3 h LEU 42 Ca 0.07 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 2jm3 h LEU 42 Cb 0.21 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 2jm3 h LEU 42 CO 0.00 0.00 0.32 0.74 0.09 0.00 0.00 178.44 179.59 2jm3 h THR 43 N 0.00 1.19 0.00 0.22 2.02 -1.41 -1.27 112.91 113.66 2jm3 h THR 43 Ca 0.00 -0.50 -0.08 0.00 0.77 0.00 0.00 66.41 66.60 2jm3 h THR 43 Cb 0.41 0.45 -0.01 0.00 -1.74 0.00 0.00 68.15 67.25 2jm3 h THR 43 CO 0.00 0.21 -0.40 0.00 0.37 0.00 0.00 175.52 175.70 2jm3 h ALA 44 N 1.15 1.23 -0.21 6.16 0.00 -1.66 -2.86 119.26 123.05 2jm3 h ALA 44 Ca 0.21 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2jm3 h ALA 44 Cb 0.05 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2jm3 h ALA 44 CO -0.03 0.50 0.00 0.44 0.00 0.00 0.00 179.25 180.16 2jm3 n ILE 45 N -3.90 0.32 -3.82 0.00 -5.35 -1.11 -4.80 119.36 100.70 2jm3 n ILE 45 Ca -0.01 -0.66 -0.28 0.00 -0.27 0.00 0.00 62.75 61.52 2jm3 n ILE 45 Cb 0.45 1.12 0.04 0.00 -1.74 0.00 0.00 39.64 39.52 2jm3 n ILE 45 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2jm3 n GLY 46 N 1.18 -0.51 3.56 3.28 0.00 -0.55 -4.51 105.19 107.65 2jm3 n GLY 46 Ca 0.15 0.21 -0.27 0.00 0.00 0.00 0.00 46.02 46.11 2jm3 n GLY 46 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jm3 s ARG 47 N -6.53 1.99 0.47 1.61 0.52 -0.78 -5.06 118.95 111.19 2jm3 s ARG 47 Ca 0.63 -2.23 0.05 0.00 -0.52 0.00 0.00 55.73 53.67 2jm3 s ARG 47 Cb -0.31 -0.78 0.05 0.00 0.52 0.00 0.00 34.95 34.44 2jm3 s ARG 47 CO 0.80 -0.47 0.45 2.41 0.02 0.00 0.00 175.30 178.52 2jm3 n THR 48 N -0.99 0.00 -0.07 0.02 -1.04 -1.26 -4.61 114.28 106.33 2jm3 n THR 48 Ca -0.09 -1.79 -0.12 0.00 -2.04 0.00 0.00 64.05 60.02 2jm3 n THR 48 Cb 0.65 -0.25 0.01 0.00 -1.82 0.00 0.00 70.33 68.92 2jm3 n THR 48 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 2jm3 h GLU 49 N 0.00 0.79 0.00 -2.82 5.08 -1.96 -2.93 114.58 112.74 2jm3 h GLU 49 Ca -0.28 -0.45 -0.10 0.00 -1.00 0.00 0.00 59.36 57.53 2jm3 h GLU 49 Cb 1.07 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.34 2jm3 h GLU 49 CO 0.42 1.08 -0.49 1.49 -1.00 0.00 0.00 179.01 180.51 2jm3 h GLU 50 N 0.63 0.00 -0.07 2.33 4.22 -1.96 -2.40 114.58 117.33 2jm3 h GLU 50 Ca 0.03 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.47 2jm3 h GLU 50 Cb 1.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.29 2jm3 h GLU 50 CO 0.10 0.49 0.00 0.25 -2.18 0.00 0.00 179.01 177.68 2jm3 n THR 51 N -3.30 0.08 0.00 0.32 -2.24 -1.13 -3.84 114.28 104.18 2jm3 n THR 51 Ca 0.01 -0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 2jm3 n THR 51 Cb 0.69 0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.93 2jm3 n THR 51 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 2jm3 n VAL 52 N -0.29 0.00 -1.51 2.28 0.31 -1.11 -4.82 118.33 113.19 2jm3 n VAL 52 Ca 0.16 0.00 -0.40 0.00 -0.01 0.00 0.00 64.34 64.09 2jm3 n VAL 52 Cb 0.19 -0.59 -0.01 0.00 -0.91 0.00 0.00 33.84 32.52 2jm3 n VAL 52 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 2jm3 n VAL 53 N -1.61 3.75 0.00 2.52 0.24 -0.92 -4.15 118.33 118.15 2jm3 n VAL 53 Ca 0.00 -2.75 0.00 0.00 -2.04 0.00 0.00 64.34 59.55 2jm3 n VAL 53 Cb 0.33 -2.59 0.00 0.00 -1.47 0.00 0.00 33.84 30.11 2jm3 n VAL 53 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 2jm3 n SER 54 N 5.03 0.00 -1.21 -1.34 7.64 -1.26 -5.00 113.62 117.47 2jm3 n SER 54 Ca 0.63 0.00 0.09 0.00 1.01 0.00 0.00 58.87 60.60 2jm3 n SER 54 Cb 0.32 0.00 0.29 0.00 -1.01 0.00 0.00 64.21 63.80 2jm3 n SER 54 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jm3 n GLN 55 N 0.00 3.10 -1.87 1.43 -0.00 -1.26 -5.00 117.38 113.79 2jm3 n GLN 55 Ca 0.00 -2.60 -0.42 0.00 -0.00 0.00 0.00 57.00 53.99 2jm3 n GLN 55 Cb 0.00 -1.61 -0.02 0.00 -0.00 0.00 0.00 30.24 28.60 2jm3 n GLN 55 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.06 175.89 2jm3 s LEU 56 N -1.39 4.36 0.10 2.61 0.20 -1.26 -4.60 118.68 118.70 2jm3 s LEU 56 Ca 0.43 2.81 0.02 0.00 0.69 0.00 0.00 54.13 58.08 2jm3 s LEU 56 Cb 0.25 -3.62 -0.04 0.00 -0.43 0.00 0.00 46.19 42.35 2jm3 s LEU 56 CO 0.24 -0.84 -0.07 -0.13 -0.29 0.00 0.00 176.35 175.26 2jm3 s ARG 57 N -0.04 0.85 -0.06 1.98 1.81 -1.13 -4.45 118.95 117.91 2jm3 s ARG 57 Ca 0.64 -1.32 0.02 0.00 -1.72 0.00 0.00 55.73 53.35 2jm3 s ARG 57 Cb -0.46 -0.28 0.02 0.00 -0.45 0.00 0.00 34.95 33.78 2jm3 s ARG 57 CO 0.42 0.00 -0.10 0.42 -0.68 0.00 0.00 175.30 175.36 2jm3 s ILE 58 N -3.43 0.97 0.53 1.52 -1.09 -0.64 -0.68 121.20 118.39 2jm3 s ILE 58 Ca 0.11 -0.38 -0.23 0.00 -2.23 0.00 0.00 60.65 57.92 2jm3 s ILE 58 Cb 0.04 -0.91 -0.06 0.00 -1.58 0.00 0.00 42.46 39.95 2jm3 s ILE 58 CO -0.04 0.32 1.39 0.00 -1.23 0.00 0.00 174.94 175.38 2jm3 n SER 60 N -0.86 0.54 0.00 0.00 3.41 -0.67 -2.15 113.62 113.89 2jm3 n SER 60 Ca 0.09 0.66 0.14 0.00 -0.26 0.00 0.00 58.87 59.51 2jm3 n SER 60 Cb 0.44 -0.77 0.70 0.00 -0.26 0.00 0.00 64.21 64.32 2jm3 n SER 60 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jm3 n ALA 61 N -1.73 2.40 0.44 7.33 0.00 -1.26 -3.16 120.51 124.53 2jm3 n ALA 61 Ca 0.01 -0.13 0.03 0.00 0.00 0.00 0.00 53.44 53.36 2jm3 n ALA 61 Cb 0.17 -1.47 0.15 0.00 0.00 0.00 0.00 19.45 18.29 2jm3 n ALA 61 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2jm3 n HIS 62 N -1.36 0.71 -4.20 0.00 -0.00 -0.91 -4.63 115.22 104.83 2jm3 n HIS 62 Ca 0.11 -0.26 -0.16 0.00 -0.00 0.00 0.00 57.72 57.42 2jm3 n HIS 62 Cb 0.27 -0.21 -0.11 0.00 -0.00 0.00 0.00 29.99 29.94 2jm3 n HIS 62 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.34 176.28 2jm3 s PHE 63 N -1.66 1.18 -0.74 4.41 0.40 -1.19 -0.33 117.98 120.06 2jm3 s PHE 63 Ca 0.20 -0.61 -0.26 0.00 -0.60 0.00 0.00 56.93 55.66 2jm3 s PHE 63 Cb 0.15 -0.64 0.02 0.00 0.51 0.00 0.00 43.02 43.06 2jm3 s PHE 63 CO 0.07 0.05 1.44 -1.83 0.70 0.00 0.00 175.22 175.65 2jm3 s GLU 64 N -2.68 3.09 0.00 0.44 -1.05 -1.26 -3.89 118.70 113.35 2jm3 s GLU 64 Ca 0.06 -0.14 0.00 0.00 -0.15 0.00 0.00 54.97 54.74 2jm3 s GLU 64 Cb -0.04 -4.35 0.00 0.00 -0.44 0.00 0.00 34.13 29.30 2jm3 s GLU 64 CO 0.01 -2.31 0.00 0.41 0.95 0.00 0.00 175.26 174.32 2jm3 n GLY 65 N 5.62 3.01 0.00 -3.83 0.00 -1.26 -4.68 105.19 104.05 2jm3 n GLY 65 Ca 0.10 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.30 2jm3 n GLY 65 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jm3 n GLY 66 N 0.00 0.95 3.30 -0.02 0.00 -1.25 -5.07 105.19 103.09 2jm3 n GLY 66 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 2jm3 n GLY 66 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2jm3 s GLU 67 N 0.10 0.44 -0.74 1.61 2.56 -1.26 -5.04 118.70 116.38 2jm3 s GLU 67 Ca 0.00 0.71 -0.14 0.00 0.00 0.00 0.00 54.97 55.54 2jm3 s GLU 67 Cb 0.00 0.10 0.19 0.00 2.00 0.00 0.00 34.13 36.42 2jm3 s GLU 67 CO 0.00 -0.11 0.67 0.21 -0.56 0.00 0.00 175.26 175.47 2jm3 s LYS 68 N 0.87 3.37 -0.07 4.30 2.20 -1.26 -4.90 119.74 124.24 2jm3 s LYS 68 Ca -0.05 -2.28 -0.04 0.00 -0.36 0.00 0.00 55.97 53.23 2jm3 s LYS 68 Cb -0.06 -4.34 -0.01 0.00 -1.51 0.00 0.00 37.83 31.91 2jm3 s LYS 68 CO -0.07 -1.29 -0.09 -0.22 -0.36 0.00 0.00 175.35 173.33 2jm3 h LYS 69 N 8.00 0.00 0.00 4.03 3.64 -1.99 -3.50 116.57 126.75 2jm3 h LYS 69 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2jm3 h LYS 69 Cb 1.05 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.87 2jm3 h LYS 69 CO 0.82 0.00 0.00 -1.91 -2.27 0.00 0.00 179.45 176.09 2jm3 n GLU 70 N -3.52 0.00 -0.01 1.90 2.13 -1.26 -4.96 120.64 114.92 2jm3 n GLU 70 Ca -0.03 0.00 0.03 0.00 0.66 0.00 0.00 57.16 57.81 2jm3 n GLU 70 Cb 0.13 0.00 0.03 0.00 0.27 0.00 0.00 31.44 31.87 2jm3 n GLU 70 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2jm3 n GLY 71 N -1.20 -0.51 3.65 8.31 0.00 -1.26 -4.54 105.19 109.64 2jm3 n GLY 71 Ca 0.00 -0.17 -0.43 0.00 0.00 0.00 0.00 46.02 45.42 2jm3 n GLY 71 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2jm3 s ASP 72 N -0.53 7.03 -0.06 1.61 1.11 -1.26 0.65 116.67 125.22 2jm3 s ASP 72 Ca 0.07 1.28 -0.04 0.00 0.18 0.00 0.00 52.55 54.04 2jm3 s ASP 72 Cb 0.05 -2.54 -0.04 0.00 1.07 0.00 0.00 42.92 41.46 2jm3 s ASP 72 CO 0.07 -0.75 0.14 -0.63 1.18 0.00 0.00 175.17 175.18 2jm3 s ILE 73 N 3.38 5.33 0.46 0.77 1.01 -1.11 -4.85 121.20 126.20 2jm3 s ILE 73 Ca 0.45 -0.03 -0.23 0.00 0.00 0.00 0.00 60.65 60.85 2jm3 s ILE 73 Cb -0.14 -3.40 -0.07 0.00 0.01 0.00 0.00 42.46 38.86 2jm3 s ILE 73 CO 0.10 0.48 1.16 -2.16 0.00 0.00 0.00 174.94 174.52 2jm3 s PRO 74 N -1.45 3.75 0.16 2.79 0.04 -1.26 -4.54 135.00 134.49 2jm3 s PRO 74 Ca 0.20 1.77 0.05 0.00 0.04 0.00 0.00 61.00 63.07 2jm3 s PRO 74 Cb -0.12 -2.40 -0.04 0.00 0.04 0.00 0.00 34.50 31.97 2jm3 s PRO 74 CO 0.11 -0.55 -0.11 0.14 0.04 0.00 0.00 177.00 176.62 2jm3 s VAL 75 N -1.55 1.31 0.21 -0.36 -7.23 0.56 -4.53 120.40 108.81 2jm3 s VAL 75 Ca 0.64 -2.07 -0.09 0.00 -1.81 0.00 0.00 61.98 58.65 2jm3 s VAL 75 Cb -0.28 -1.86 0.14 0.00 0.56 0.00 0.00 36.38 34.93 2jm3 s VAL 75 CO 0.35 -0.69 1.80 -0.65 -0.31 0.00 0.00 175.10 175.60 2jm3 h PRO 76 N 2.79 0.61 -1.85 4.82 0.11 -1.88 -3.42 132.00 133.19 2jm3 h PRO 76 Ca -0.37 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.69 2jm3 h PRO 76 Cb 1.20 -0.14 -0.24 0.00 0.11 0.00 0.00 31.00 31.93 2jm3 h PRO 76 CO 0.62 0.41 -0.30 0.34 -0.21 0.00 0.00 178.00 178.86 2jm3 s ASP 77 N -5.55 -0.70 0.00 -2.05 -1.08 -1.26 -4.73 116.67 101.29 2jm3 s ASP 77 Ca -0.13 0.97 0.10 0.00 -0.52 0.00 0.00 52.55 52.98 2jm3 s ASP 77 Cb 0.16 1.79 0.43 0.00 -1.46 0.00 0.00 42.92 43.84 2jm3 s ASP 77 CO 0.76 -0.25 1.32 -0.81 0.52 0.00 0.00 175.17 176.71 2jm3 n PRO 78 N 5.41 0.00 -0.08 4.34 -0.04 -1.26 0.19 135.00 143.57 2jm3 n PRO 78 Ca -0.07 0.33 -0.09 0.00 -0.04 0.00 0.00 63.50 63.63 2jm3 n PRO 78 Cb 0.50 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.36 2jm3 n PRO 78 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2jm3 n THR 79 N -1.51 0.95 -0.08 0.52 -2.24 -1.26 -4.54 114.28 106.12 2jm3 n THR 79 Ca 0.02 -0.47 -0.19 0.00 -2.27 0.00 0.00 64.05 61.14 2jm3 n THR 79 Cb 0.12 -0.87 -0.12 0.00 -2.10 0.00 0.00 70.33 67.35 2jm3 n THR 79 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 2jm3 h VAL 80 N 0.00 1.20 -3.12 2.28 2.07 -1.91 -3.48 116.25 113.30 2jm3 h VAL 80 Ca -0.37 -2.26 -0.46 0.00 0.82 0.00 0.00 66.70 64.43 2jm3 h VAL 80 Cb 1.71 2.64 0.04 0.00 -1.52 0.00 0.00 31.29 34.16 2jm3 h VAL 80 CO -0.02 0.45 0.02 -0.62 0.02 0.00 0.00 177.57 177.43 2jm3 s ASP 81 N -6.68 5.71 -1.00 0.57 2.15 0.13 -4.99 116.67 112.56 2jm3 s ASP 81 Ca -0.25 0.45 -0.23 0.00 0.43 0.00 0.00 52.55 52.95 2jm3 s ASP 81 Cb 0.03 -1.58 0.04 0.00 -0.30 0.00 0.00 42.92 41.11 2jm3 s ASP 81 CO 0.64 -0.87 1.52 -0.75 -0.17 0.00 0.00 175.17 175.54 2jm3 s LYS 82 N -4.75 3.43 -0.30 4.34 2.20 -1.26 -4.59 119.74 118.82 2jm3 s LYS 82 Ca 0.51 -0.99 -0.40 0.00 -0.36 0.00 0.00 55.97 54.74 2jm3 s LYS 82 Cb -0.10 -5.30 -0.15 0.00 -1.51 0.00 0.00 37.83 30.76 2jm3 s LYS 82 CO 0.41 -2.38 1.83 0.94 -0.36 0.00 0.00 175.35 175.79 2jm3 n GLN 83 N 8.89 1.13 -3.93 4.03 -0.06 -1.26 -4.94 117.38 121.24 2jm3 n GLN 83 Ca 0.34 0.40 -0.35 0.00 -2.00 0.00 0.00 57.00 55.39 2jm3 n GLN 83 Cb 0.50 -2.14 -0.10 0.00 -4.06 0.00 0.00 30.24 24.44 2jm3 n GLN 83 CO 0.00 0.00 0.00 0.96 -0.20 0.00 0.00 177.06 177.82 2jm3 s ILE 84 N 4.18 4.71 0.02 1.69 -4.36 -1.26 -5.09 121.20 121.09 2jm3 s ILE 84 Ca 1.01 -0.05 0.03 0.00 -0.26 0.00 0.00 60.65 61.38 2jm3 s ILE 84 Cb -1.05 -3.15 -0.02 0.00 1.25 0.00 0.00 42.46 39.49 2jm3 s ILE 84 CO 0.63 0.42 -0.10 -1.59 0.24 0.00 0.00 174.94 174.54 2jm3 s LYS 85 N 0.76 0.72 0.02 0.37 -2.85 -1.26 -2.75 119.74 114.74 2jm3 s LYS 85 Ca 0.04 -0.55 -0.23 0.00 -1.00 0.00 0.00 55.97 54.23 2jm3 s LYS 85 Cb -0.13 -0.66 -0.05 0.00 -2.06 0.00 0.00 37.83 34.92 2jm3 s LYS 85 CO 0.02 0.17 0.70 0.42 0.10 0.00 0.00 175.35 176.76 2jm3 s ILE 86 N -0.67 4.81 -0.65 3.79 1.01 0.21 -4.97 121.20 124.73 2jm3 s ILE 86 Ca -0.00 1.48 -0.27 0.00 0.00 0.00 0.00 60.65 61.86 2jm3 s ILE 86 Cb -0.06 -4.05 0.00 0.00 0.01 0.00 0.00 42.46 38.37 2jm3 s ILE 86 CO 0.00 0.38 1.57 -1.61 0.00 0.00 0.00 174.94 175.28 2jm3 s GLU 87 N -0.05 2.95 -0.15 2.79 2.02 -1.26 -4.49 118.70 120.50 2jm3 s GLU 87 Ca 0.36 0.26 -0.20 0.00 0.02 0.00 0.00 54.97 55.41 2jm3 s GLU 87 Cb -0.19 -4.27 -0.03 0.00 0.10 0.00 0.00 34.13 29.73 2jm3 s GLU 87 CO 0.21 -2.39 0.58 -1.17 0.02 0.00 0.00 175.26 172.51 2jm3 s LEU 88 N 7.33 4.21 0.10 1.80 2.96 -1.26 -5.03 118.68 128.79 2jm3 s LEU 88 Ca 0.53 0.86 -0.31 0.00 -0.22 0.00 0.00 54.13 54.98 2jm3 s LEU 88 Cb -0.11 -2.83 -0.10 0.00 0.50 0.00 0.00 46.19 43.66 2jm3 s LEU 88 CO 0.19 -0.15 1.75 -2.84 -1.32 0.00 0.00 176.35 173.98 2jm3 s PRO 89 N 1.31 4.16 0.11 0.98 0.02 -1.26 -4.93 135.00 135.40 2jm3 s PRO 89 Ca 0.28 2.49 -0.30 0.00 0.02 0.00 0.00 61.00 63.49 2jm3 s PRO 89 Cb -0.16 -3.58 -0.11 0.00 0.02 0.00 0.00 34.50 30.67 2jm3 s PRO 89 CO 0.11 -0.79 1.50 -1.00 -0.33 0.00 0.00 177.00 176.49 2jm3 h PRO 90 N 8.43 -0.42 0.00 5.54 0.13 -2.04 -3.54 132.00 140.10 2jm3 h PRO 90 Ca -0.45 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 2jm3 h PRO 90 Cb 1.21 0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.44 2jm3 h PRO 90 CO 0.94 -0.28 0.00 1.17 -0.23 0.00 0.00 178.00 179.60